A1EHO

2,6-bis(fluoranyl)benzamide

Created:	2024-12-11
Last modified:	2025-08-27

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1 entries where A1EHO is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	6

2D diagram of A1EHO

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Chemical Component Summary
Name	2,6-bis(fluoranyl)benzamide
Systematic Name (OpenEye OEToolkits)	2,6-bis(fluoranyl)benzamide
Formula	C₇ H₅ F₂ N O
Molecular Weight	157.118
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=O)c1c(F)cccc1F
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(c(c1)F)C(=O)N)F
Canonical SMILES	CACTVS	3.385	NC(=O)c1c(F)cccc1F
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(c(c1)F)C(=O)N)F
InChI	InChI	1.06	InChI=1S/C7H5F2NO/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H2,10,11)
InChIKey	InChI	1.06	AVRQBXVUUXHRMY-UHFFFAOYSA-N

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.